Hansen A - Search Results

1

A generally applicable atomic-charge dependent London dispersion correction.

Caldeweyher E, Ehlert S, Hansen A, Neugebauer H, Spicher S, Bannwarth C, Grimme S. Caldeweyher E, et al. Among authors: hansen a. J Chem Phys. 2019 Apr 21;150(15):154122. doi: 10.1063/1.5090222. J Chem Phys. 2019. PMID: 31005066

2

Accurate theoretical chemistry with coupled pair models.

Neese F, Hansen A, Wennmohs F, Grimme S. Neese F, et al. Among authors: hansen a. Acc Chem Res. 2009 May 19;42(5):641-8. doi: 10.1021/ar800241t. Acc Chem Res. 2009. PMID: 19296607

3

Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

Neese F, Wennmohs F, Hansen A. Neese F, et al. Among authors: hansen a. J Chem Phys. 2009 Mar 21;130(11):114108. doi: 10.1063/1.3086717. J Chem Phys. 2009. PMID: 19317532

4

Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis.

Neese F, Hansen A, Liakos DG. Neese F, et al. Among authors: hansen a. J Chem Phys. 2009 Aug 14;131(6):064103. doi: 10.1063/1.3173827. J Chem Phys. 2009. PMID: 19691374

5

Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals.

Hansen A, Liakos DG, Neese F. Hansen A, et al. J Chem Phys. 2011 Dec 7;135(21):214102. doi: 10.1063/1.3663855. J Chem Phys. 2011. PMID: 22149774

This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009); F. Neese, A. Hansen, and D. ...Finally, hyperfine couplings calculated with the variational LPNO-CEPA …

This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. P …

6

Excited states using the simplified Tamm-Dancoff-Approach for range-separated hybrid density functionals: development and application.

Risthaus T, Hansen A, Grimme S. Risthaus T, et al. Among authors: hansen a. Phys Chem Chem Phys. 2014 Jul 28;16(28):14408-19. doi: 10.1039/c3cp54517b. Phys Chem Chem Phys. 2014. PMID: 24356212

7

The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.

Hansen A, Bannwarth C, Grimme S, Petrović P, Werlé C, Djukic JP. Hansen A, et al. ChemistryOpen. 2014 Oct;3(5):177-89. doi: 10.1002/open.201402017. Epub 2014 Sep 4. ChemistryOpen. 2014. PMID: 25478313 Free PMC article.

8

A practicable real-space measure and visualization of static electron-correlation effects.

Grimme S, Hansen A. Grimme S, et al. Among authors: hansen a. Angew Chem Int Ed Engl. 2015 Oct 12;54(42):12308-13. doi: 10.1002/anie.201501887. Epub 2015 Apr 16. Angew Chem Int Ed Engl. 2015. PMID: 25882895

9

Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

Grimme S, Brandenburg JG, Bannwarth C, Hansen A. Grimme S, et al. Among authors: hansen a. J Chem Phys. 2015 Aug 7;143(5):054107. doi: 10.1063/1.4927476. J Chem Phys. 2015. PMID: 26254642

10

Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unit.

Kruse H, Mladek A, Gkionis K, Hansen A, Grimme S, Sponer J. Kruse H, et al. Among authors: hansen a. J Chem Theory Comput. 2015 Oct 13;11(10):4972-91. doi: 10.1021/acs.jctc.5b00515. Epub 2015 Sep 15. J Chem Theory Comput. 2015. PMID: 26574283

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

4,133 results

Search Page